J. Thorben Frank

A Euclidean transformer for fast and stable machine learned force fields

J. Thorben Frank, Oliver T. Unke, Klaus‐Robert Müller et al. · Nature Communications · 2024 · 70 citations · Full text

Natural Sciences, Chemistry, Physics +17

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields

Adil Kabylda, J. Thorben Frank, Sergio Suarez Dou et al. · Journal of the American Chemical Society · 2025 · 49 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin et al. · Chemical Science · 2025 · 19 citations · Full text

Natural Sciences, Chemistry, Physics +17

Stress and heat flux via automatic differentiation

Marcel F. Langer, J. Thorben Frank, Florian Knoop · The Journal of Chemical Physics · 2023 · 18 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields

Adil Kabylda, J. Thorben Frank, Sergio Suarez Dou et al. · ChemRxiv · 2024 · 17 citations · Full text

Natural Sciences, Biophysics, Chemistry +17